Comment on "Experimental Study of the Impact of Stress on the Point Defect Incorporation during Silicon Growth" [ECS Solid State Lett., 3, N5 (2014)]

Vanhellemont, Jan; Kamiyama, Eiji; Sueoka, Koji

doi:10.1149/2.010404ssl

Cited by 8 publications

(5 citation statements)

References 4 publications

(7 reference statements)

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“…The intrinsic point defect parameters where extracted from single crystal growth experiments which obviously never occur in stress‐free conditions and thus implicitly already contain partly the effect of stress. Further theoretical and experimental studies are needed .…”

Section: Remaining Problemsmentioning

confidence: 99%

Stress and doping impact on intrinsic point defect behavior in growing single crystal silicon

Sueoka

Kamiyama

Vanhellemont

et al. 2014

Physica Status Solidi (b)

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For the mass-production of 450 mm-diameter defect-free Si crystals, one has to take into account the impact of thermal stress on intrinsic point defect properties and behavior during single crystal growth from a melt. Very recently, first experimental evidence was published that the compressive thermal stress near the melt/solid interface makes a growing 300 mm diameter Czochralski Si crystal more vacancy-rich. In order to explain these experimental results quantitatively, the dependence of the formation enthalpies of the vacancy (V) and the self-interstitial (I) on compressive plane stress was determined using density functional theory (DFT) based calculations. It is found that compressive plane stress gives a higher stress dependence of the so-called "Voronkov criterion" compared to isotropic stress. The calculated plane stress dependence is in excellent agreement with the published experimental values and should be taken into account in the development of pulling processes for 450 mm diameter defect-free Si crystals. Also, the mechanisms behind the experimentally observed impact of the type and concentration of substitutional dopants on intrinsic point defect behavior and formation of grown-in defects are clarified. On the basis of the DFT calculated results, an appropriate model of intrinsic point defect behavior in heavily doped Si is proposed. (i) The incorporated total V and I concentrations at the melting point depend on the types and concentrations of dopants. (ii) Most of the total V and I concentrations contribute to Frenkel pair recombination during Si crystal growth at temperatures much higher than those to form grown-in intrinsic point defect clusters. The Voronkov model, while taking into account the present improvements, clearly explains all reported experimental results on grown-in defects for heavily doped Si. The most important remaining problems with respect to intrinsic point defect behavior and properties during single crystal growth from a melt are also discussed.

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Section: Remaining Problemsmentioning

confidence: 99%

Stress and doping impact on intrinsic point defect behavior in growing single crystal silicon

Sueoka

Kamiyama

Vanhellemont

et al. 2014

Physica Status Solidi (b)

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“…1 by the enthalpies obtained in this study and by using the thermal equilibrium concentrations at melt temperature, corresponding with these new formation enthalpies assuming at this moment that the pre-exponential factors are not affected (this assumption is not strictly accurate as the plane and isotropic stresses will probably also lead to small changes of the vibrational entropies and thus also to somewhat different pre-exponential factors). 4 To illustrate the impact of compressive thermal stress, the values of the formation enthalpies as a function of mean thermal stress σ ave th given by Eqs. 3a and 3b were used.…”

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confidence: 99%

“…10 Furthermore, it should be noted that the experimental (v/G) crit values for stress levels between 0 and −5 MPa were obtained near the periphery of the wafers so that lateral out-diffusion of the intrinsic point defects and the shape of the melt/solid interface will have an important influence on the extracted (v/G) crit value. 2,4 As these influences are not taken into account in the simple Voronkov criterion, the data points between 0 and −5 MPa are not included in the comparison. Therefore, the experimental stress dependencies of (v/G) crit values were obtained from the data in the crystal central region for stresses between −5 MPa and −20 MPa shown as dotted line in each figure.…”

mentioning

confidence: 99%

Impact of Plane Thermal Stress near the Melt/Solid Interface on the v/G Criterion for Defect-Free Large Diameter Single Crystal Si Growth

Sueoka

Kamiyama

Vanhellemont

et al. 2014

ECS Solid State Letters

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Very recently, first experimental evidence was published that the compressive thermal stress near the melt/solid interface makes a growing 300 mm diameter Czochralski Si crystal more vacancy-rich. The purpose of this letter is to explain these experimental results quantitatively by determining the dependence of the formation enthalpies of the vacancy and the self-interstitial on compressive plane stress using density functional theory based calculations. It is found that compressive plane stress gives a higher stress dependence of the so-called "Voronkov criterion" compared to the isotropic stress. In most of the central region of a growing crystal, the dominant component of the thermal stress near the melt/solid interface is compressive plane stress. The calculated plane stress dependence is in excellent agreement with the published experimental values and should be taken into account in the development of pulling processes for the mass-production of 450 mm diameter defect-free Si crystals.By evaluating the so-called "Voronkov criterion," 1 Nakamura et al. 2 very recently published clear experimental evidence that the compressive thermal stress near the melt/solid interface shifts the growing Czochralski Si crystal to more vacancy-rich. According to this criterion, a crystal that is pulled with the ratio (v/G) of the pulling speed v over the axial temperature gradient G at the melt/solid interface, larger than a critical value (v/G) crit , is vacancy (V) rich while when (v/G) is smaller than the critical value, the pulled crystal is self-interstitial (I) rich. They evaluated the boundaries of defect-free regions experimentally with changing the pulling speed v and calculated the temperature distributions with the global heat transfer model. 2 The "Voronkov criterion" (v/G) crit can be written as.,[1]C I , C I eq and C V , C V eq are the actual and the thermal equilibrium I and V concentrations, respectively. D I and D V are the I and V diffusivities, respectively. Q I and Q V are the reduced heats of transport of I and V, respectively, defined as the heat flux per unit flux of component atom in the absence of temperature gradient. T m is the melt temperature and k is the Boltzmann constant. E f I and E f V are the formation energy of I and V, respectively. One of the challenges to apply Eq. 1 in practice is the choice of intrinsic point defect formation and migration energies for zero stress. 4 Recent simulations at the atomic level, support the assumption that both I and V are incorporated in the crystal at the melt/solid interface with their thermal equilibrium concentrations at T m . 5 Before the recent experimental confirmation by Nakamura et al., 2 one of the authors, claimed in 2011 6 that one should take into account the impact of thermal stresses on the intrinsic point defect parameters and thus on the critical (v/G) crit . A detailed density functional theory (DFT) study followed to evaluate the pressure dependence of both the formation enthalpy (H f ) and the migration enthalpy (H m ) of the intrinsic ...

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“…They proposed new data for the solubility and diffusivity of the intrinsic point defects in Ge based on the experimental data available in literature and on ab initio simulations [37,39] which have been revised recently in Refs. [57] and [58]. Jan Vanhellemont's last invited talk was "Modeling of Intrinsic Point Defect Properties and Clustering during Single Crystal Silicon and Germanium Growth from a Melt" in IWMCG-8 in Spa, Belgium, last November 2015.…”

Section: Modeling Point Defectsmentioning

confidence: 99%

Jan Vanhellemont – 35 years of materials research in microelectronics

Kissinger

Simoen

Claeys

et al. 2016

Phys. Status Solidi C

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On the occasion of the decease of Prof. Jan Vanhellemont, a brief overview of his scientific career, covering more than 35 years in semiconductor materials science, is given in this paper. The main scientific highlights are summarized. Besides the different positions he has taken in his career at different universities and companies, he has also been very active in establishing a world‐wide network of collaborations and contacts, who often became also good friends. (© 2016 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)

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Comment on "Experimental Study of the Impact of Stress on the Point Defect Incorporation during Silicon Growth" [ECS Solid State Lett., 3, N5 (2014)]

Cited by 8 publications

References 4 publications

Stress and doping impact on intrinsic point defect behavior in growing single crystal silicon

Stress and doping impact on intrinsic point defect behavior in growing single crystal silicon

Impact of Plane Thermal Stress near the Melt/Solid Interface on the v/G Criterion for Defect-Free Large Diameter Single Crystal Si Growth

Jan Vanhellemont – 35 years of materials research in microelectronics

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